Compound Detail
CHEMBL48257
HEMIACYLCARNITINIUM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL48257 |
| Name | HEMIACYLCARNITINIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPDGRWIGMIHIAC-GGAORHGYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
3.77
ALogP
4
HBA
1
HBD
69.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.8
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL3238 | Ki | 6.8 | 5.91 | 160.0 | 3 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 4.3 | 4.3 | 49600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 2, mitochondrial | Ki | = | 160.0 | nM | 6.8 | Competitive inhibition of CPT2 | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | Ki | = | 2800.0 | nM | 5.55 | Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase... | 8423595 |
| Carnitine O-palmitoyltransferase 2, mitochondrial | Ki | = | 2800.0 | nM | 5.55 | Competitive inhibition of CPT2 in heart mitochondria using carnitine | 21504156 |
| Carnitine O-palmitoyltransferase 1, liver isoform | Ki | = | 4200.0 | nM | 5.38 | Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase... | 8423595 |
| Carnitine O-palmitoyltransferase 2, mitochondrial | Ki | = | 4200.0 | nM | 5.38 | Competitive inhibition of CPT2 in liver mitochondria using carnitine | 21504156 |
| Protein kinase C (PKC) | IC50 | = | 49600.0 | nM | 4.3 | Inhibition of protein kinase C (PKC) purified from rat brain | 8421285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498205 | 10.1016/s0960-894x(99)00423-0 | Human immunodeficiency virus 1 | 6 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 2, mitochondrial | 3 |
| 8423595 | 10.1021/jm00054a007 | Carnitine O-palmitoyltransferase 1, muscle isoform | 2 |
| 8423595 | 10.1021/jm00054a007 | Carnitine O-palmitoyltransferase 1, liver isoform | 2 |
| 8421285 | 10.1021/jm00053a024 | Protein kinase C (PKC) | 1 |
| 10498205 | 10.1016/s0960-894x(99)00423-0 | Homo sapiens | 1 |
| 10498205 | 10.1016/s0960-894x(99)00423-0 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine